2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one

C13H21NOS — CID 79992059

IUPAC2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1sccc1C
InChIInChI=1S/C13H21NOS/c1-6-14(7-2)13(4,5)12(15)11-10(3)8-9-16-11/h8-9H,6-7H2,1-5H3
InChIKeyMPYCBKAOUWLRFU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.36
Rot. Bonds5

About 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one

2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one (PubChem CID 79992059) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
PubChem CID79992059
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1sccc1C
InChIInChI=1S/C13H21NOS/c1-6-14(7-2)13(4,5)12(15)11-10(3)8-9-16-11/h8-9H,6-7H2,1-5H3
InChIKeyMPYCBKAOUWLRFU-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one (CID 79992059) is 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one is CCN(CC)C(C)(C)C(=O)c1sccc1C.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one?
The InChIKey is MPYCBKAOUWLRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-6-14(7-2)13(4,5)12(15)11-10(3)8-9-16-11/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one?
2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one has a molecular weight of 239.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 79992059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).